General Information of the Compound
| Compound ID |
CP0169174
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| Compound Name |
2-[5-bromo-3-(5-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
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| Structure |
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| Formula |
C26H24BrFN4O3
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| Molecular Weight |
539.405
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| Canonical SMILES |
Fc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
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| InChI |
InChI=1S/C26H24BrFN4O3/c1-2-25(34)32-12-18(13-32)29-24(33)15-31-14-21(20-10-17(27)6-7-23(20)31)26(35)30-9-8-19-16(11-30)4-3-5-22(19)28/h2-7,10,14,18H,1,8-9,11-13,15H2,(H,29,33)
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| InChIKey |
YYNAVMPHBCXAST-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound